N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide

C15H25N3O — CID 2455475

IUPACN-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
SMILESCCC(CC)NCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-12(6-2)16-11-15(19)17-13-7-9-14(10-8-13)18(3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyDDLQDWXQNGXOQD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide

N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide (PubChem CID 2455475) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
PubChem CID2455475
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
SMILESCCC(CC)NCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-12(6-2)16-11-15(19)17-13-7-9-14(10-8-13)18(3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyDDLQDWXQNGXOQD-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
CID 43389753
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
4-[4-(dimethylamino)anilino]-2-(dimethylazaniumyl)-4-oxobutanoate
CID 6914887
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide (CID 2455475) is N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide is CCC(CC)NCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide?
The InChIKey is DDLQDWXQNGXOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12(6-2)16-11-15(19)17-13-7-9-14(10-8-13)18(3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide?
N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide is sourced from PubChem (CID 2455475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).